Information card for entry 4085433

Structure parameters

• Formula: C41 H59 Cl2 N W
• Calculated formula: C41 H59 Cl2 N W
• SMILES: Cl[W](Cl)(=CC(C)(C)C)=Nc1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain the 2,6-Bis(2,4,6-triisopropylphenyl)phenylimido (NHIPT) Ligand
• Authors of publication: Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2110
• a: 19.2637 ± 0.0018 Å
• b: 16.7591 ± 0.0018 Å
• c: 24.48 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7903.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No